Molecule ID: mol32095

SMILES: COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(N4CCOCC4)c3Cl)nc2c1

InChI: InChI=1S/C19H21ClN4O3S/c1-12-10-21-16(17(20)18(12)24-5-7-27-8-6-24)11-28(25)19-22-14-4-3-13(26-2)9-15(14)23-19/h3-4,9-10H,5-8,11H2,1-2H3,(H,22,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.32 OCHEM 1 » 0
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Charge States and Microspecies Visualization